4-[2-(2-bromophenyl)ethynyl]pyridine

C13H8BrN — CID 131366975

IUPAC4-[2-(2-bromophenyl)ethynyl]pyridine
SMILESBrc1ccccc1C#Cc1ccncc1
InChIInChI=1S/C13H8BrN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H
InChIKeyGINAHXZWVYURDU-UHFFFAOYSA-N
MW258.12 g/mol
LogP3.24
Rot. Bonds

About 4-[2-(2-bromophenyl)ethynyl]pyridine

4-[2-(2-bromophenyl)ethynyl]pyridine (PubChem CID 131366975) has the molecular formula C13H8BrN and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)ethynyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)ethynyl]pyridine
PubChem CID131366975
Molecular FormulaC13H8BrN
Molecular Weight258.12 g/mol
Exact Mass256.98
IUPAC Name4-[2-(2-bromophenyl)ethynyl]pyridine
SMILESBrc1ccccc1C#Cc1ccncc1
InChIInChI=1S/C13H8BrN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H
InChIKeyGINAHXZWVYURDU-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 141055556
2-(2-pyridin-4-ylethynyl)phenol
CID 175485114
1-bromo-2-(2-bromoethynyl)benzene
CID 11470945
4-[2-[2-(2-methylpropyl)phenyl]ethynyl]pyridine
CID 58439628
9-carbazol-9-yl-1-(2-pyridin-4-ylethynyl)carbazole
CID 175523015
1-bromo-2-[2-[4-(2-methylpropoxy)phenyl]ethynyl]benzene
CID 139474548
1-bromo-2-[2-(trifluoromethylsulfanyl)ethynyl]benzene
CID 125480481
1-bromo-2-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzene
CID 134856617
1-bromo-2-(3-bromoprop-1-ynyl)benzene
CID 19973052
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
5-[2-(2-bromophenyl)ethynyl]-2-(3-phenylphenyl)pyridine
CID 150105994
4-[2-[6-(2-pyridin-4-ylethynyl)pyren-1-yl]ethynyl]pyridine
CID 132518706

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)ethynyl]pyridine?
The IUPAC name of 4-[2-(2-bromophenyl)ethynyl]pyridine (CID 131366975) is 4-[2-(2-bromophenyl)ethynyl]pyridine.
What is the SMILES notation for 4-[2-(2-bromophenyl)ethynyl]pyridine?
The canonical SMILES for 4-[2-(2-bromophenyl)ethynyl]pyridine is Brc1ccccc1C#Cc1ccncc1.
What is the InChIKey of 4-[2-(2-bromophenyl)ethynyl]pyridine?
The InChIKey is GINAHXZWVYURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H.
What are the key properties of 4-[2-(2-bromophenyl)ethynyl]pyridine?
4-[2-(2-bromophenyl)ethynyl]pyridine has a molecular weight of 258.12 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)ethynyl]pyridine is sourced from PubChem (CID 131366975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).